2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
Chemical Structure Depiction of
2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
Compound characteristics
| Compound ID: | N108-0257 |
| Compound Name: | 2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide |
| Molecular Weight: | 453.63 |
| Molecular Formula: | C26 H39 N5 O2 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(CC(NCCCN1CCN(CC1)c1ccccc1)=O)C2)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.5875 |
| logD: | 0.9041 |
| logSw: | -2.1722 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.76 |
| InChI Key: | CNETWWTXULEKJY-WMTXJRDZSA-N |